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AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific…

Artificial Intelligence · Computer Science 2025-05-27 Jiabin Tang , Lianghao Xia , Zhonghang Li , Chao Huang

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

Research ideation involves broad exploring and deep refining ideas. Both require deep engagement with literature. Existing tools focus primarily on idea broad generation, yet offer little support for iterative specification, refinement, and…

Human-Computer Interaction · Computer Science 2025-07-16 Kevin Pu , K. J. Kevin Feng , Tovi Grossman , Tom Hope , Bhavana Dalvi Mishra , Matt Latzke , Jonathan Bragg , Joseph Chee Chang , Pao Siangliulue

Large Language Models (LLMs) achieve competitive results compared to human experts in medical examinations. However, it remains a challenge to apply LLMs to complex clinical decision-making, which requires a deep understanding of medical…

In the current digital era, the rapid spread of misinformation on online platforms presents significant challenges to societal well-being, public trust, and democratic processes, influencing critical decision making and public opinion. To…

Computation and Language · Computer Science 2024-05-06 Xinyi Li , Yongfeng Zhang , Edward C. Malthouse

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Computation and Language · Computer Science 2025-01-14 Xiangru Tang , Tianyu Hu , Muyang Ye , Yanjun Shao , Xunjian Yin , Siru Ouyang , Wangchunshu Zhou , Pan Lu , Zhuosheng Zhang , Yilun Zhao , Arman Cohan , Mark Gerstein

Scientific innovation is pivotal for humanity, and harnessing large language models (LLMs) to generate research ideas could transform discovery. However, existing LLMs often produce simplistic and repetitive suggestions due to their limited…

Artificial Intelligence · Computer Science 2024-10-29 Xiang Hu , Hongyu Fu , Jinge Wang , Yifeng Wang , Zhikun Li , Renjun Xu , Yu Lu , Yaochu Jin , Lili Pan , Zhenzhong Lan

Large language models (LLMs) exhibit strong symbolic and compositional reasoning, yet they struggle with time series question answering as the data is typically transformed into an LLM-compatible modality, e.g., serialized text, plotted…

Artificial Intelligence · Computer Science 2026-04-08 Penghang Liu , Elizabeth Fons , Annita Vapsi , Mohsen Ghassemi , Svitlana Vyetrenko , Daniel Borrajo , Vamsi K. Potluru , Manuela Veloso

Scientific reasoning poses an excessive challenge for even the most advanced Large Language Models (LLMs). To make this task more practical and solvable for LLMs, we introduce a new task setting named tool-augmented scientific reasoning.…

Computation and Language · Computer Science 2024-02-22 Yubo Ma , Zhibin Gou , Junheng Hao , Ruochen Xu , Shuohang Wang , Liangming Pan , Yujiu Yang , Yixin Cao , Aixin Sun , Hany Awadalla , Weizhu Chen

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast…

Artificial Intelligence · Computer Science 2024-01-11 Haojie Pan , Zepeng Zhai , Hao Yuan , Yaojia Lv , Ruiji Fu , Ming Liu , Zhongyuan Wang , Bing Qin

Conventional biomedical research is increasingly labor-intensive due to the exponential growth of scientific literature and datasets. Artificial intelligence (AI), particularly Large Language Models (LLMs), has the potential to…

Multiagent Systems · Computer Science 2025-07-08 Yi Luo , Linghang Shi , Yihao Li , Aobo Zhuang , Yeyun Gong , Ling Liu , Chen Lin

The rapid advancement in capabilities of large language models (LLMs) raises a pivotal question: How can LLMs accelerate scientific discovery? This work tackles the crucial first stage of research, generating novel hypotheses. While recent…

Artificial Intelligence · Computer Science 2025-05-27 Aniketh Garikaparthi , Manasi Patwardhan , Lovekesh Vig , Arman Cohan

Several tools have recently been proposed for assisting researchers during various stages of the research life-cycle. However, these primarily concentrate on tasks such as retrieving and recommending relevant literature, reviewing and…

Computation and Language · Computer Science 2024-03-08 Harshit Nigam , Manasi Patwardhan , Lovekesh Vig , Gautam Shroff

Large Language Models (LLMs) generalize well across language tasks, but suffer from hallucinations and uninterpretability, making it difficult to assess their accuracy without ground-truth. Retrieval-Augmented Generation (RAG) models have…

Computation and Language · Computer Science 2023-12-18 Jakub Lála , Odhran O'Donoghue , Aleksandar Shtedritski , Sam Cox , Samuel G. Rodriques , Andrew D. White

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

We introduce a novel large language model (LLM)-driven agent framework, which iteratively refines queries and filters contextual evidence by leveraging dynamically evolving knowledge. A defining feature of the system is its decoupling of…

Artificial Intelligence · Computer Science 2025-04-02 Seyoung Song

The widespread adoption of Large Language Models (LLMs) and publicly available ChatGPT have marked a significant turning point in the integration of Artificial Intelligence (AI) into people's everyday lives. This study examines the ability…

Computation and Language · Computer Science 2025-10-28 Sandeep Kumar , Tirthankar Ghosal , Vinayak Goyal , Asif Ekbal

Current evaluation methods for large language models (LLMs) primarily rely on static benchmarks, presenting two major challenges: limited knowledge coverage and fixed difficulties that mismatch with the evaluated LLMs. These limitations…

Computation and Language · Computer Science 2026-01-16 Zhichao Shi , Xuhui Jiang , Chengjin Xu , Cangli Yao , Shengjia Ma , Yinghan Shen , Zixuan Li , Jian Guo , Yuanzhuo Wang

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…